UCSF

ZINC34610596

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.05 10.3 -31.41 2 5 1 63 418.904 4
Mid Mid (pH 6-8) 5.05 9.5 -16.78 1 5 0 62 417.896 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )